ACD Labs Logo

ACD/Structure Design Engine

Optimize Leads to Improve Bioavailability, Increase Solubility, and more...

ACD/Structure Design Engine

Developed for synthetic chemists the solution is composed of several components. The structure optimization component—ACD/Structure Design Engine—offers the capability to select a site(s) for modification of a molecular scaffold, and uses the chemist's knowledge of project objectives to define the desired property profile.

Optimize structures for:

Compound Profiling and Lead Optimization for Synthetic Medicinal Chemists

The software automatically generates structural analogs. These can be reviewed, analyzed, and filtered using various tools in a spreadsheet interface to reduce hundreds of analogs to a manageable number for synthesis. This interface also offers the capability to calculate properties for all analogs to aid analysis. Choose either ACD/Percepta Profilers or ACD/Percepta Predictors depending on the level of detail required.

Read more information on Structure Design Engine.

Want to learn more?

Contact Us